CBKinase1_000995
TL;DR: CBKinase1_000995 (CAS 471917-72-3) is a chemical compound with molecular formula C23H27N3O4S and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_000995, CBKinase1_013395, UPCMLD0ENAT5251067:001, BIM-0035556.P001, AB00099348-01
| Molecular Formula | C23H27N3O4S |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | 4.18184 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.17224 |
| Heavy Atoms | 31 |
| Complexity | 1059.5764 |
Chemical Identifiers
| CAS Number | 471917-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=C(N3)C=C(C(=C4)C)C |
Product Overview
CBKinase1_000995 (CAS 471917-72-3), with molecular formula C23H27N3O4S and molecular weight 441.17 g/mol. IUPAC: ethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_000995
Property Insights of CBKinase1_000995
The XLogP value of 4.18184 indicates that CBKinase1_000995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000995. Following Lipinski's Rule of Five, CBKinase1_000995 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_000995?
The CAS number of CBKinase1_000995 is 471917-72-3.
What is the molecular formula of CBKinase1_000995?
The molecular formula of CBKinase1_000995 is C23H27N3O4S.
What is the molecular weight of CBKinase1_000995?
The molecular weight of CBKinase1_000995 is 441.17 g/mol.
Where can I buy CBKinase1_000995?
You can request a quote for CBKinase1_000995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000995?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.